General Information of the Compound
| Compound ID |
CP0869134
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| Compound Name |
(3R,4S)-N-(3-cyano-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-((4-methoxypiperidin-1-yl)methyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C29H33F3N4O3
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| Molecular Weight |
542.602
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| Canonical SMILES |
COC1CCN(C[C@@]2(C(=O)Nc3cc(C#N)cc(C(F)(F)F)c3)CN(c3c(C)cccc3C)C(=O)[C@H]2C)CC1
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| InChI |
InChI=1S/C29H33F3N4O3/c1-18-6-5-7-19(2)25(18)36-17-28(20(3)26(36)37,16-35-10-8-24(39-4)9-11-35)27(38)34-23-13-21(15-33)12-22(14-23)29(30,31)32/h5-7,12-14,20,24H,8-11,16-17H2,1-4H3,(H,34,38)/t20-,28-/m1/s1
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| InChIKey |
ZNSIWUQLNVSJTP-PIIWDFAUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound